"""
Created on Aug 5, 2011

@author: guillaume
"""

from math import pi

# Define the gyromagnetic ratios in rad/s/T
# IUPAC values: Harris et al, Concepts in Magn. Reson, (2002) 14, p326
gamma = {'H': 26.7522128e+07, 'N':-2.71261804e+07, 'C': 6.728284e+07, \
         'F': 25.18148e+07, 'P':10.8394e+07}

# Define the gyromagnetic ratios in MHz/T
gamma_in_MHz_T = dict((key, val / (2.0 * pi) * 1.0e-06) for key, val in gamma.iteritems())

# Define gyromagnetic ratios wrt proton
gamma_ratio = dict((key, val / gamma['H']) for key, val in gamma.iteritems())

scalar_couplings = {'amide_HN'     :-92.0,
                    'methyl_HC'    : 125.0,
                    'methylene_HC' : 130.0,
                    'aromatic_HC'  : 180.0}
